mol_id	log(IGC50-1)	MWt	MolVol	VMcGowan	N_Atoms	N_Carbon	N_Ntrgen	N_Oxygen	N_Sulfur	N_Fluorn	N_Chlorn	N_Bromin	N_Iodine	N_Halogen	N_Bonds	N_FrRotB	F_SgleB	F_DbleB	F_TpleB	F_AromB	F_AFRBWF	N_Rings	N_AromR	N_AlipR	N_Pisyms	N_IsolLP	Herndon	X0	X1	X2	Kappa1	Kappa2	Kappa3	Wiener	T_RDmtr	Blbn_J	Blbn_MSD	SsCH3	SssCH2	SsssCH	SssssC	SdCH2	SdsCH	SdssC	SaaCH	SaasC	SaaaC	StCH	SddC	StsC	SsNH2	SssNH	SsssN	SdsN	SaaN	SddsN	StN	SsOH	SssO	SsO-	SdO	SddssS	SsSH	SssS	SdssS	SdS	SaaS	SsF	SsCl	SsBr	SsI	SHsOH	SHsNH2	SHssNH	SHsSH	SHCH_321	SHdCH2	SHdsCH	SHaaCH	SHtCH	AlHdrxl_-OH	ArHdrxl_-OH	Carbonyl_C=O	Ether___-O-	PriAmine_-NH2	PriAmAli_-NH2	PriAmAro_-NH2	SecAmine_>NH	TerAmine_>N-	ArNitrog_=N-	Nitrile_C#N	Thiol___-SH	Sulfide_-S-	Oxime___=N-O-	Hdrzine_>N-N<	Sulfoxde_>S=O	Nitro___-NO2	Sulfone_>S(=O)=O	Sulfite_-SO3<	Sulfate_-OSO3	AlCbxyl_-COOH	Ester___C(=O)OC	Amide___C(=O)N<	Thioamd_C(=S)N<	Isothcnt_-N=C=S	Carbmte_>NC(=O)O<	M_CX	M_NO	M_PRX	M_UB	M_HB	M_POL	M_RNG	M_NO2	M_NCS	H_AlAlco	H_AlAcid	H_Phenol	H_AlPyri	H_Nitrle	H_Nitro	H_MultiN	T_Rgrav	T_Rgeom	T_Radmax	T_Dipole	T_PSA	T_Grav3	IHB	PHB	HBD	HBA	HBDo	HBAo	HBDn	HBAn	HBDch	HBAch	HBDoch	HBAoch	HBDnch	HBAnch	ABSQ	ABSQon	MaxQ	MinQ	NPA_ABSQ	NPA_AQon	NPA_AQh	NPA_AQc	NPA_MaxQ	NPA_MinQ	NPA_Q1	NPA_Q2	NPA_Q3	NPA_Q4	NPA_Q5	NPA_Q6	EEM_AFon	EEM_AFc	EEM_AFpl	EEM_AFnp	EEM_MaxF	EEM_XFon	EEM_NFon	EEM_XFh	EEM_XFc	EEM_NFc	EEM_XFpl	EEM_NFpl	EEM_XFnp	EEM_NFnp	EEM_F1	EEM_F2	EEM_F3	EEM_F4	EEM_F5	EEM_F6	Pi_ABSQ	Pi_AQo	Pi_AQn	Pi_AQc	Pi_MaxQ	Pi_MinQ	Pi_Q1	Pi_Q2	Pi_Q3	Pi_Q4	Pi_Q5	Pi_Q6	Pi_AFPlc	Pi_AFMic	Pi_MaxFPl	Pi_MaxFMi	Pi_FPl1	Pi_FPl2	Pi_FPl3	Pi_FPl4	Pi_FPl5	Pi_FPl6	Pi_FMi1	Pi_FMi2	Pi_FMi3	Pi_FMi4	Pi_FMi5	Pi_FMi6	EqualChi	EqualEta	Elephity	N_Electr	PolarizG	PolarizM	N_IoAcAt	N_IoBaAt	FAnion	FCation	FUnion	FZwitter	QAvgNeg	QAvgPos	F_NLP	F_HBP
mol_1	-0.12	78.11442	77	111	6	6	0	0	0	0	0	0	0	0	6	0	0	0	0	1	0	1	1	0	1	0	0.821379409	4.242640687	3	2.121320344	4.166666667	2.222222222	1.333333333	27	0.5	2	1.949358869	0	0	0	0	0	0	0	12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.31875	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1.258305739	1.258305739	1.258305739	0	0	10.05627308	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.744117317	0	6.20E-02	-6.20E-02	2.523911757	0	1.261955879	1.261955879	0.21032598	-0.21032598	0.265422107	-0.265422107	-0.132711053	-1.24E-16	0.132711053	0	0	0.819016898	0	0.819016898	0.136502816	0	0	3.02E-02	0.136502816	0.136502816	0	0	0.136502816	0.136502816	0.111798113	0.161207519	0.11076761	3.02E-02	2.73E-03	0	1.11E-15	0	0	1.11E-15	1.11E-16	-2.22E-16	0	1.11E-31	0	0	0	0	1	1	0.166666667	0.166666667	0.166666667	0.166666667	8.33E-02	0	0	0	0.166666667	0.166666667	8.33E-02	0	0	0	5.687544723	1.052696939	15.36442435	42	10.93640392	10.45205486	0	0	0	0	1	0	0	0	0	0
mol_2	0.25	106.1685	119	165.42	8	8	0	0	0	0	0	0	0	0	8	0	0.25	0	0	0.75	0	1	1	0	1	0	0.821379409	5.983127663	3.7876937	3.365043969	6.125	2.52	1.8	62	0.625	2.192377158	2.449489743	4.193333333	0	0	0	0	0	0	8.481481481	2.658518519	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.984611111	0	0	4.351388889	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1.662166977	1.620185175	2.426748006	1.17E-15	0	10.98526896	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.831871391	0	6.23E-02	-5.88E-02	4.313210486	0	2.07219927	2.241011217	0.209901303	-0.630391502	9.30E-03	0.526643281	-0.479043864	-0.717052327	1.054975908	-0.777016819	0	0.793907035	0	0.793907035	0.13337956	0	0	2.19E-02	0.13337956	6.04E-02	0	0	0.13337956	6.04E-02	6.13E-02	0.120722441	0.129368915	6.69E-02	3.11E-02	0.015811521	0.070542985	0	0	0.070542985	1.76E-02	-8.82E-03	-4.67E-04	-4.67E-04	4.67E-04	0	0	0	1	1	0.25	0.328880668	0.125	0.125	0.125	0	0	0	0.127196593	0.127196593	0.122803407	0	0	0	5.758539951	0.759142479	21.84094769	58	15.33827706	14.1343349	0	0	0	0	1	0	0	0	0	0
mol_3	0.25	92.14146	98	138.21	7	7	0	0	0	0	0	0	0	0	7	0	0.142857143	0	0	0.857142857	0	1	1	0	1	0	0.821379409	5.112884175	3.39384685	2.743182156	5.142857143	2.34375	1.5	42	0.571428571	2.12291795	2.182178902	2.083333333	0	0	0	0	0	0	10.26157407	1.321759259	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.48675	0	0	5.343069444	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1.448511327	1.428571429	1.991615848	1.60E-02	0	10.54123902	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.787994918	0	6.23E-02	-6.20E-02	3.423219556	0	1.666798966	1.75642059	0.211175073	-0.632918213	0.134967783	0.136397187	-0.354818485	-0.13227808	8.47E-02	0.129712065	0	0.804408696	0	0.804408696	0.154952716	0	0	2.55E-02	0.154952716	7.08E-02	0	0	0.154952716	7.08E-02	8.08E-02	0.138244289	0.124439615	6.10E-02	1.65E-02	1.74E-03	4.98E-02	0	0	4.98E-02	0.0237883	-9.40E-03	-4.65E-04	2.30E-04	-1.55E-04	0	0	0	1	1	0.25	0.331207981	0.125	0.125	0.125	0	0	0	0.126099033	0.126204565	0.123799243	0	0	0	5.728641441	0.882163708	18.60047769	50	13.13733953	12.29286528	0	0	0	0	1	0	0	0	0	0
mol_4	1.25	134.22258	161	219.84	10	10	0	0	0	0	0	0	0	0	10	3	0.4	0	0	0.6	0.3	1	1	0	1	0	0.821379409	7.234204519	4.931851653	3.64626437	8.1	4.760330579	3.111111111	133	0.7	2.017237222	3.376388603	2.225138889	3.829610733	0	0	0	0	0	10.64955593	1.462361111	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.822096159	0	0	5.44321712	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	2.298520506	2.264950331	3.768024019	0.246777152	0	12.0819027	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.096129774	0	6.23E-02	-6.49E-02	5.769501864	0	2.859646552	2.909855312	0.209721326	-0.597196489	0.69697815	-0.681411168	-6.19E-02	-0.204970107	0.35026807	-0.268246235	0	0.76615883	0	0.76615883	0.102072168	0	0	1.73E-02	0.102072168	5.05E-02	0	0	0.102072168	5.05E-02	5.45E-02	0.092355791	9.05E-02	6.96E-02	5.94E-02	4.69E-02	3.35E-02	0	0	3.35E-02	1.60E-02	-6.33E-03	-2.10E-04	1.04E-04	-7.02E-05	0	0	0	1	1	0.25	0.331884391	0.125	0.125	0.125	0	0	0	0.125741783	0.125788619	0.124212554	0	0	0	5.626750853	0.600096636	26.37935565	74	19.79114424	17.81839654	0	0	0	0	1	0	0	0	0	0
mol_5	1.79	148.24962	182	247.05	11	11	0	0	0	0	0	0	0	0	11	4	0.454545455	0	0	0.545454545	0.318181818	1	1	0	1	0	0.821379409	7.9413113	5.431851653	3.999817761	9.090909091	5.625	3.786982249	182	0.727272727	1.95831315	3.818614694	2.241064815	5.246945625	0	0	0	0	0	10.70555437	1.473101852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.258026006	0	0	5.460099521	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	2.605411151	2.574509502	4.315714991	0.3370818	0	12.51546216	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.20200835	0	6.23E-02	-6.49E-02	6.558210419	0	3.254828341	3.303382078	0.20942269	-0.598918246	0.849923089	-0.84102352	-6.79E-02	-8.22E-02	-0.110421237	0.356105505	0	0.758248222	0	0.758248222	9.22E-02	0	0	1.56E-02	9.22E-02	4.57E-02	0	0	9.22E-02	4.57E-02	4.88E-02	8.38E-02	8.31E-02	6.71E-02	5.50E-02	4.84E-02	3.36E-02	0	0	3.36E-02	1.60E-02	-6.34E-03	-2.11E-04	1.04E-04	-7.05E-05	0	0	0	1	1	0.25	0.331881691	0.125	0.125	0.125	0	0	0	0.125743196	0.125790215	0.124210965	0	0	0	5.605857085	0.542275621	28.97570206	82	22.00992372	19.66076956	0	0	0	0	1	0	0	0	0	0
mol_6	-0.24	107.15613	112	154.75	8	7	1	0	0	0	0	0	0	0	8	1	0.25	0	0	0.75	0.25	1	1	0	1	1	0.821379409	5.819990956	3.931851653	2.912284135	6.125	3.111111111	1.8	64	0.625	2.125016255	2.535462764	0	0.639722222	0	0	0	0	0	9.98962963	1.1875	0	0	0	0	5.349814815	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.40475	0	0	0.66175	0	0	5.506013889	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7	1	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1.717981756	1.677050983	2.596154954	0.268865371	26.02	11.14400686	0	0	1	1	0	0	1	1	0.752036755	-0.936655107	0	0	0.752036755	-0.936655107	1.322272838	0.326512145	0.118656219	-0.326512145	4.459940384	0.936655107	2.208781742	1.314503536	0.376018378	-0.936655107	0.393806696	-0.640113458	0.461684474	-0.382288974	-7.46E-02	5.44E-02	8.54E-02	0.595937386	8.54E-02	0.595937386	9.20E-02	8.54E-02	8.54E-02	0.090527467	9.20E-02	5.81E-02	8.54E-02	8.54E-02	9.20E-02	5.81E-02	5.54E-02	0.101611615	9.90E-02	8.14E-02	5.80E-02	2.57E-02	2.01E-02	0	0	2.01E-02	9.59E-03	-3.79E-03	-7.55E-05	3.73E-05	-2.52E-05	0	0	0	1	1	0.25	0.332455546	0.125	0.125	0.125	0	0	0	0.125445367	0.125461908	0.124538347	0	0	0	5.836389366	0.688374977	24.74192264	58	14.36740553	13.67604993	0	1	0	0.988653458	1.13E-02	0	0	0.988653458	1.42E-03	0.373581682
mol_7	0.69	120.19554	140	192.63	9	9	0	0	0	0	0	0	0	0	9	1	0.333333333	0	0	0.666666667	0.333333333	1	1	0	1	0	0.821379409	6.690234444	4.304530453	3.642107032	7.111111111	3.239669421	2	88	0.555555556	2.228362115	2.708012802	4.407407407	0	0.658518519	0	0	0	0	10.51972222	1.414351852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.440694444	0	0	5.436180556	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9	0	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1.837688194	1.805341868	2.567659348	0.091532026	0	11.54447425	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.972002978	0	6.23E-02	-6.20E-02	4.974494475	0	2.470384584	2.50410989	0.21034817	-0.600014968	0.408634607	-0.213632149	-0.105461037	-0.2166314	-0.177406314	4.68E-02	0	0.778674648	0	0.778674648	0.116241105	0	0	1.99E-02	0.116241105	4.73E-02	0	0	0.116241105	4.73E-02	5.50E-02	0.103467423	0.113967062	9.07E-02	5.55E-02	1.80E-02	1.52E-02	0	0	1.52E-02	7.26E-03	-2.87E-03	-4.32E-05	2.14E-05	-1.44E-05	0	0	0	1	1	0.25	0.332666455	0.125	0.125	0.125	0	0	0	0.1253372	0.125346613	0.124653497	0	0	0	5.66968165	0.669585336	24.00387842	66	17.56719587	15.976224	0	0	0	0	1	0	0	0	0	0
mol_8	0.42	164.24902	189	252.92	12	11	0	1	0	0	0	0	0	0	12	5	0.5	0	0	0.5	0.333333333	1	1	0	1	1	0.821379409	8.648418081	5.931851653	4.353371151	10.08333333	6.50887574	4.591836735	242	0.75	1.906220772	4.264014327	0	4.720665549	0	0	0	0	0	10.48399495	1.398555367	0	0	0	0	0	0	0	0	0	0	0	8.563450806	0	0	0	0	0	0	0	0	0	0	0	0	0	2.337135062	0	0	0	2.847692673	0	0	5.539229151	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11	1	0	3	0	0	0	0	0	0	0	0	0	0	0	0	2.944148607	2.886751346	4.795388139	0.277751071	20.23	12.97590425	0	0	1	1	1	1	0	0	0.432781132	-0.75181648	0.432781132	-0.75181648	0	0	1.807118293	0.396317674	0.209934122	-0.396317674	6.999653773	0.75181648	3.471965934	2.775871359	0.432781132	-0.75181648	0.718120014	-0.798018365	-8.64E-02	-0.101727442	0.146263055	-0.292467742	1.24E-02	0.695793825	1.24E-02	0.695793825	8.05E-02	1.24E-02	1.24E-02	8.05E-02	7.90E-02	4.22E-02	1.24E-02	1.24E-02	7.90E-02	4.22E-02	0.042480273	7.79E-02	7.76E-02	6.40E-02	5.39E-02	4.81E-02	3.31E-02	0	0	3.31E-02	1.58E-02	-6.25E-03	-2.05E-04	1.01E-04	-6.86E-05	0	0	0	1	1	0.25	0.331900875	0.125	0.125	0.125	0	0	0	0.125733159	0.125778884	0.124222248	0	0	0	5.696732486	0.501486794	32.356546	90	22.42806093	20.21136111	0	0	0	0	1	0	0	0	0.166666667	8.33E-02
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